4-nonylbenzenesulfonamide

C15H25NO2S — CID 19845394

IUPAC4-nonylbenzenesulfonamide
SMILESCCCCCCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19(16,17)18/h10-13H,2-9H2,1H3,(H2,16,17,18)
InChIKeyUQPQVQZHONDIRW-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.63
Rot. Bonds9

About 4-nonylbenzenesulfonamide

4-nonylbenzenesulfonamide (PubChem CID 19845394) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-nonylbenzenesulfonamide.

Molecular Properties

Compound Name4-nonylbenzenesulfonamide
PubChem CID19845394
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-nonylbenzenesulfonamide
SMILESCCCCCCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19(16,17)18/h10-13H,2-9H2,1H3,(H2,16,17,18)
InChIKeyUQPQVQZHONDIRW-UHFFFAOYSA-N
XLogP3.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-nonylbenzenesulfonate
CID 15764481
4-icosylbenzenesulfonate
CID 59513322
calcium bis(4-nonatriacontylbenzenesulfonate)
CID 101306547
azanium 4-tridecylbenzenesulfonate
CID 22833410
potassium 4-hentetracontylbenzenesulfonate
CID 101306579
4-octatriacontylbenzenesulfonic acid
CID 101306527
barium(2+);bis(4-pentacosylbenzenesulfonate)
CID 101306304
sodium 4-pentatetracontylbenzenesulfonate
CID 101306653
zinc bis(4-undecylbenzenesulfonate)
CID 101317785
4-pentatetracontylbenzenesulfonic acid
CID 101306652
calcium bis(4-tetratetracontylbenzenesulfonate)
CID 101306636
potassium 4-tetratriacontylbenzenesulfonate
CID 101306457

Frequently Asked Questions

What is the IUPAC name of 4-nonylbenzenesulfonamide?
The IUPAC name of 4-nonylbenzenesulfonamide (CID 19845394) is 4-nonylbenzenesulfonamide.
What is the SMILES notation for 4-nonylbenzenesulfonamide?
The canonical SMILES for 4-nonylbenzenesulfonamide is CCCCCCCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-nonylbenzenesulfonamide?
The InChIKey is UQPQVQZHONDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19(16,17)18/h10-13H,2-9H2,1H3,(H2,16,17,18).
What are the key properties of 4-nonylbenzenesulfonamide?
4-nonylbenzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonylbenzenesulfonamide is sourced from PubChem (CID 19845394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).